3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide

C16H10ClF2N3O — CID 46920076

IUPAC3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C16H10ClF2N3O/c17-11-4-2-1-3-10(11)14-8-15(22-21-14)16(23)20-9-5-6-12(18)13(19)7-9/h1-8H,(H,20,23)(H,21,22)
InChIKeyMAUQYDPFSUKXHP-UHFFFAOYSA-N
MW333.73 g/mol
LogP4.26
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920076) has the molecular formula C16H10ClF2N3O and a molecular weight of 333.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920076
Molecular FormulaC16H10ClF2N3O
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC Name3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C16H10ClF2N3O/c17-11-4-2-1-3-10(11)14-8-15(22-21-14)16(23)20-9-5-6-12(18)13(19)7-9/h1-8H,(H,20,23)(H,21,22)
InChIKeyMAUQYDPFSUKXHP-UHFFFAOYSA-N
XLogP4.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920100
N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046391
3-(2-chlorophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920056
3-(2-chlorophenyl)-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 46920090
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046396
3-(2-chlorophenyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]-1H-pyrazole-5-carboxamide;hydrochloride
CID 71087843
3-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-1H-pyrazole-5-carboxamide
CID 112770772
3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide
CID 78862068
3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 78860717
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide (CID 46920076) is 3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MAUQYDPFSUKXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2N3O/c17-11-4-2-1-3-10(11)14-8-15(22-21-14)16(23)20-9-5-6-12(18)13(19)7-9/h1-8H,(H,20,23)(H,21,22).
What are the key properties of 3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 333.73 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).